(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-isopentyloxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-(3-ethoxy-4-isoamoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C32H30Cl2N4O5S2 MolecularWeight: 685.6404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=C(C=C(C=C5)Cl)Cl)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=C(C=C(C=C5)Cl)Cl)OCCC(C)C

InChI

InChI=1S/C32H30Cl2N4O5S2/c1-4-42-25-15-20(6-8-24(25)43-14-11-18(2)3)27-26(28(39)19-9-12-35-13-10-19)29(40)30(41)38(27)31-36-37-32(45-31)44-17-21-5-7-22(33)16-23(21)34/h5-10,12-13,15-16,18,27,39H,4,11,14,17H2,1-3H3/b28-26+